Information card for entry 7012628

Structure parameters

• Formula: C18 H20 N6 O13 V3 Zn1.5
• Calculated formula: C18 H12 N6 O13 V3 Zn1.5
• Title of publication: Solid state coordination chemistry: secondary metal‒ligand influences on the structures of vanadium oxides. Hydrothermal syntheses and structures of [Zn(tpytrz)2V2O6], [Zn3(tpytrz)2(H2O)2V6O18]·6H2O and [Cu3(tpytrz)2(H2O)2V8O23]·3H2O (tpytrz = 2,4,6-tri(4-pyridyl)-1,3,5-triazine)Electronic supplementary information (ESI) available: colour versions of Fig. 1‒3. See http://www.rsc.org/suppdata/dt/b2/b212458k/
• Authors of publication: Rarig, Jr., Randy S.; Zubieta, Jon
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1861
• a: 7.8393 ± 0.0003 Å
• b: 22.8107 ± 0.0009 Å
• c: 15.1124 ± 0.0006 Å
• α: 90°
• β: 102.363 ± 0.001°
• γ: 90°
• Cell volume: 2639.73 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No